KQK
Summary
Name: | ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
Formula: | C12 H12 N6 |
Formal charge: | 0 |
Formula weight: | 240.264 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C12H12N6/c1-17(2)12-13-7-5-10(16-12)9-8-15-18-11(9)4-3-6-14-18/h3-8H,1-2H3 |
InChIKey | InChI | 1.03 | IFLBFWBMAWIBBZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1nccc(n1)c2cnn3ncccc23 |
SMILES | CACTVS | 3.385 | CN(C)c1nccc(n1)c2cnn3ncccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1nccc(n1)c2cnn3c2cccn3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1nccc(n1)c2cnn3c2cccn3 |